tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate

C14H25NO4 — CID 103873195

IUPACtert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9(2)11(13(17)19-14(3,4)5)15-12(16)10-7-6-8-18-10/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyHXJSQBMTFPYONS-WDEREUQCSA-N
MW271.36 g/mol
LogP1.65
Rot. Bonds4

About tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate

tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate (PubChem CID 103873195) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate.

Molecular Properties

Compound Nametert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
PubChem CID103873195
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Nametert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate
SMILESCC(C)[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25NO4/c1-9(2)11(13(17)19-14(3,4)5)15-12(16)10-7-6-8-18-10/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1
InChIKeyHXJSQBMTFPYONS-WDEREUQCSA-N
XLogP1.65
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate with MolForge

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Related Compounds

methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoic acid
CID 104855482
tert-butyl (2S)-2-(cyclopropanecarbonylamino)-3-methylbutanoate
CID 80707687
tert-butyl (2S)-3-methyl-2-[[2-(oxolan-2-yl)acetyl]amino]butanoate
CID 80706794
methyl (2S)-3,3-dimethyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoate
CID 96507792
tert-butyl N-[(2R)-3-methyl-1-oxo-1-[2-[(2S)-oxolane-2-carbonyl]hydrazinyl]butan-2-yl]carbamate
CID 97012257
tert-butyl (2R)-3-methyl-2-(thiolane-2-carbonylamino)butanoate
CID 81004182
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
tert-butyl 2-[[(1R,3S)-3-hydroxycyclohexanecarbonyl]amino]-3-methylbutanoate
CID 69439050
tert-butyl (2S)-3-methyl-2-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 11778633
(2S)-N-(3-hydroxybutan-2-yl)oxolane-2-carboxamide
CID 130735264
tert-butyl (2S)-3-methyl-2-[[(2R)-5-oxopyrrolidine-2-carbonyl]amino]butanoate
CID 103762213

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate?
The IUPAC name of tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate (CID 103873195) is tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate.
What is the SMILES notation for tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate?
The canonical SMILES for tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate is CC(C)[C@@H](NC(=O)[C@@H]1CCCO1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate?
The InChIKey is HXJSQBMTFPYONS-WDEREUQCSA-N. The full InChI is InChI=1S/C14H25NO4/c1-9(2)11(13(17)19-14(3,4)5)15-12(16)10-7-6-8-18-10/h9-11H,6-8H2,1-5H3,(H,15,16)/t10-,11+/m0/s1.
What are the key properties of tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate?
tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate has a molecular weight of 271.36 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-3-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]butanoate is sourced from PubChem (CID 103873195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).